AW4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C27 | sing | 1.74Å | 1.79Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C27 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C04 | sing | 1.53Å | 1.49Å | |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| N03 | C04 | sing | 1.47Å | 1.46Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C04 | C05 | sing | 1.51Å | 1.52Å | |
| C25 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.55Å | |
| O22 | C02 | sing | 1.35Å | 1.40Å | |
| O22 | C23 | sing | 1.45Å | 1.42Å | |
| C02 | O01 | doub | 1.22Å | 1.21Å | |
| C05 | O17 | doub | 1.21Å | 1.20Å | |
| C05 | N06 | sing | 1.35Å | 1.45Å | |
| C24 | C23 | sing | 1.53Å | 1.58Å | |
| N06 | C07 | sing | 1.47Å | 1.46Å | |
| C07 | C08 | sing | 1.53Å | 1.50Å | |
| C07 | C10 | sing | 1.53Å | 1.56Å | |
| C08 | O09 | sing | 1.43Å | 1.40Å | |
| C10 | C11 | sing | 1.53Å | 1.58Å | |
| C11 | C15 | sing | 1.55Å | 1.36Å | |
| C11 | C12 | sing | 1.51Å | 1.62Å | |
| C15 | C14 | sing | 1.54Å | 1.59Å | |
| C14 | N13 | sing | 1.47Å | 1.57Å | |
| C12 | O16 | doub | 1.21Å | 1.18Å | |
| C12 | N13 | sing | 1.34Å | 1.37Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| N03 | H6 | sing | 0.97Å | 1.00Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| N06 | H8 | sing | 0.97Å | 1.00Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| O09 | H12 | sing | 0.97Å | 0.95Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| N13 | H16 | sing | 0.97Å | 1.00Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| C08 | S1 | sing | 1.81Å | 35.83Å | |
| S1 | O1 | sing | 1.52Å | 0.00Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | doub | 1.42Å | 0.00Å | |
| O1 | H11 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C27 | C29 | 121.0° | 120.0° |
| CL1 | C27 | C26 | 118.1° | 120.0° |
| C20 | C19 | C21 | 112.5° | 109.5° |
| C20 | C19 | C18 | 108.1° | 109.5° |
| C20 | C19 | H5 | 108.3° | 109.5° |
| C19 | C20 | H19 | 109.5° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| C19 | C20 | H21 | 109.5° | 109.5° |
| C21 | C19 | C18 | 111.8° | 109.5° |
| C21 | C19 | H5 | 108.1° | 109.5° |
| C19 | C21 | H22 | 109.5° | 109.5° |
| C19 | C21 | H23 | 109.5° | 109.5° |
| C19 | C21 | H24 | 109.5° | 109.5° |
| C19 | C18 | C04 | 113.3° | 109.5° |
| C18 | C19 | H5 | 107.9° | 109.5° |
| C19 | C18 | H17 | 108.5° | 109.5° |
| C19 | C18 | H18 | 108.5° | 109.5° |
| C29 | C27 | C26 | 121.0° | 120.0° |
| C27 | C29 | C30 | 119.6° | 120.0° |
| C27 | C29 | H30 | 120.2° | 120.0° |
| C27 | C26 | C25 | 119.2° | 120.0° |
| C27 | C26 | H29 | 120.4° | 120.0° |
| C29 | C30 | C31 | 119.8° | 120.0° |
| C30 | C29 | H30 | 120.2° | 120.0° |
| C29 | C30 | H31 | 120.1° | 120.0° |
| C18 | C04 | N03 | 111.0° | 109.5° |
| C18 | C04 | C05 | 109.8° | 109.5° |
| C18 | C04 | H7 | 109.3° | 109.5° |
| C04 | C18 | H17 | 108.5° | 109.5° |
| C04 | C18 | H18 | 108.5° | 109.5° |
| C26 | C25 | C31 | 120.8° | 120.0° |
| C26 | C25 | C24 | 118.7° | 119.9° |
| C25 | C26 | H29 | 120.4° | 120.0° |
| C30 | C31 | C25 | 119.6° | 120.1° |
| C31 | C30 | H31 | 120.1° | 120.0° |
| C30 | C31 | H32 | 120.2° | 119.9° |
| C04 | N03 | C02 | 118.2° | 120.0° |
| N03 | C04 | C05 | 108.0° | 109.5° |
| C04 | N03 | H6 | 120.9° | 120.0° |
| N03 | C04 | H7 | 109.7° | 109.5° |
| N03 | C02 | O22 | 117.0° | 120.0° |
| N03 | C02 | O01 | 121.6° | 120.0° |
| C02 | N03 | H6 | 120.9° | 120.0° |
| C04 | C05 | O17 | 123.6° | 120.0° |
| C04 | C05 | N06 | 115.6° | 120.0° |
| C05 | C04 | H7 | 108.9° | 109.5° |
| C31 | C25 | C24 | 120.5° | 120.0° |
| C25 | C31 | H32 | 120.2° | 120.0° |
| C25 | C24 | C23 | 111.3° | 109.5° |
| C25 | C24 | H27 | 109.0° | 109.5° |
| C25 | C24 | H28 | 109.0° | 109.5° |
| C02 | O22 | C23 | 113.6° | 117.0° |
| O22 | C02 | O01 | 121.3° | 120.0° |
| O22 | C23 | C24 | 106.4° | 109.5° |
| O22 | C23 | H25 | 110.2° | 109.5° |
| O22 | C23 | H26 | 110.2° | 109.5° |
| O17 | C05 | N06 | 120.8° | 120.0° |
| C05 | N06 | C07 | 119.2° | 120.0° |
| C05 | N06 | H8 | 120.4° | 120.0° |
| C24 | C23 | H25 | 110.2° | 109.4° |
| C24 | C23 | H26 | 110.2° | 109.5° |
| C23 | C24 | H27 | 109.0° | 109.4° |
| C23 | C24 | H28 | 109.0° | 109.5° |
| N06 | C07 | C08 | 107.5° | 109.4° |
| N06 | C07 | C10 | 108.3° | 109.4° |
| C07 | N06 | H8 | 120.4° | 120.1° |
| N06 | C07 | H9 | 110.3° | 109.5° |
| C08 | C07 | C10 | 112.2° | 109.5° |
| C07 | C08 | O09 | 110.2° | 109.4° |
| C08 | C07 | H9 | 109.7° | 109.5° |
| C07 | C08 | H10 | 123.2° | 109.5° |
| C07 | C08 | S1 | 52.4° | 109.5° |
| C07 | C10 | C11 | 111.8° | 109.5° |
| C10 | C07 | H9 | 108.9° | 109.5° |
| C07 | C10 | H13 | 108.9° | 109.5° |
| C07 | C10 | H14 | 108.9° | 109.4° |
| O09 | C08 | H10 | 126.0° | 109.4° |
| C08 | O09 | H12 | 109.5° | 114.0° |
| O09 | C08 | S1 | 131.0° | 109.5° |
| C10 | C11 | C15 | 112.8° | 110.5° |
| C10 | C11 | C12 | 108.6° | 110.5° |
| C11 | C10 | H13 | 108.9° | 109.5° |
| C11 | C10 | H14 | 108.9° | 109.4° |
| C10 | C11 | H15 | 108.3° | 110.4° |
| C15 | C11 | C12 | 107.7° | 104.2° |
| C11 | C15 | C14 | 105.0° | 101.8° |
| C11 | C15 | H3 | 110.5° | 110.9° |
| C11 | C15 | H4 | 110.6° | 111.1° |
| C15 | C11 | H15 | 111.4° | 110.6° |
| C11 | C12 | O16 | 126.2° | 125.0° |
| C11 | C12 | N13 | 108.0° | 110.1° |
| C12 | C11 | H15 | 107.9° | 110.5° |
| C15 | C14 | N13 | 104.0° | 105.4° |
| C15 | C14 | H1 | 110.8° | 110.4° |
| C15 | C14 | H2 | 110.8° | 110.2° |
| C14 | C15 | H3 | 110.6° | 110.9° |
| C14 | C15 | H4 | 110.6° | 110.9° |
| C14 | N13 | C12 | 107.5° | 111.3° |
| N13 | C14 | H1 | 110.8° | 110.2° |
| N13 | C14 | H2 | 110.8° | 110.2° |
| C14 | N13 | H16 | 126.3° | 124.3° |
| O16 | C12 | N13 | 125.8° | 124.9° |
| C12 | N13 | H16 | 126.2° | 124.3° |
| H1 | C14 | H2 | 109.5° | 110.3° |
| H3 | C15 | H4 | 109.5° | 110.9° |
| H10 | C08 | S1 | 91.3° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.4° | 109.5° |
| H19 | C20 | H21 | 109.5° | 109.4° |
| H20 | C20 | H21 | 109.5° | 109.4° |
| H22 | C21 | H23 | 109.4° | 109.5° |
| H22 | C21 | H24 | 109.5° | 109.4° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H27 | C24 | H28 | 109.5° | 109.5° |
| C08 | S1 | O1 | 90.0° | 104.5° |
| C08 | S1 | O2 | 90.0° | 110.6° |
| C08 | S1 | O3 | 90.0° | 110.5° |
| O1 | S1 | O2 | 90.0° | 104.3° |
| O1 | S1 | O3 | 90.0° | 104.3° |
| S1 | O1 | H11 | 90.0° | 114.0° |
| O2 | S1 | O3 | 90.0° | 121.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C27 | C29 | C26 | 179.8° | 180.0° |
| CL1 | C27 | C29 | C30 | 179.6° | 180.0° |
| CL1 | C27 | C26 | C25 | 179.7° | 180.0° |
| CL1 | C27 | C26 | H29 | 0.3° | 0.0° |
| CL1 | C27 | C29 | H30 | 0.5° | 0.0° |
| C20 | C19 | C21 | C18 | 121.9° | 120.0° |
| C20 | C19 | C21 | H5 | 119.5° | 120.0° |
| C20 | C19 | C18 | H5 | 116.9° | 120.0° |
| C20 | C19 | C18 | C04 | 170.7° | 65.7° |
| C20 | C19 | C18 | H17 | 68.8° | 174.3° |
| C20 | C19 | C18 | H18 | 50.1° | 54.3° |
| C19 | C20 | H19 | H20 | 120.0° | 120.1° |
| C19 | C20 | H19 | H21 | 120.0° | 120.0° |
| C19 | C20 | H20 | H21 | 120.0° | 120.0° |
| C20 | C19 | C21 | H22 | 180.0° | 180.0° |
| C20 | C19 | C21 | H23 | 60.0° | 60.0° |
| C20 | C19 | C21 | H24 | 60.0° | 60.0° |
| C21 | C19 | C18 | H5 | 118.7° | 120.0° |
| C21 | C19 | C18 | C04 | 65.0° | 174.3° |
| C21 | C19 | C18 | H17 | 55.6° | 54.3° |
| C21 | C19 | C18 | H18 | 174.4° | 65.7° |
| C21 | C19 | C20 | H19 | 180.0° | 59.9° |
| C21 | C19 | C20 | H20 | 60.0° | 179.9° |
| C21 | C19 | C20 | H21 | 60.0° | 60.1° |
| C19 | C21 | H22 | H23 | 120.0° | 120.0° |
| C19 | C21 | H22 | H24 | 120.0° | 119.9° |
| C19 | C21 | H23 | H24 | 120.0° | 120.0° |
| C19 | C18 | C04 | H17 | 120.6° | 120.0° |
| C19 | C18 | C04 | H18 | 120.6° | 120.0° |
| C19 | C18 | C04 | N03 | 70.4° | 171.0° |
| C19 | C18 | C04 | C05 | 170.2° | 69.0° |
| C19 | C18 | C04 | H7 | 50.8° | 51.1° |
| C19 | C18 | H17 | H18 | 118.3° | 120.0° |
| C18 | C19 | C20 | H19 | 56.1° | 179.9° |
| C18 | C19 | C20 | H20 | 63.9° | 60.1° |
| C18 | C19 | C20 | H21 | 176.1° | 59.9° |
| C18 | C19 | C21 | H22 | 58.1° | 60.0° |
| C18 | C19 | C21 | H23 | 178.1° | 180.0° |
| C18 | C19 | C21 | H24 | 61.9° | 60.0° |
| C27 | C29 | C30 | H30 | 180.0° | 180.0° |
| C29 | C27 | C26 | C25 | 0.1° | 0.0° |
| C27 | C29 | C30 | C31 | 0.3° | 0.1° |
| C29 | C27 | C26 | H29 | 179.9° | 179.9° |
| C27 | C29 | C30 | H31 | 179.7° | 180.0° |
| C26 | C27 | C29 | C30 | 0.2° | 0.0° |
| C27 | C26 | C25 | H29 | 180.0° | 180.0° |
| C27 | C26 | C25 | C31 | 0.0° | 0.0° |
| C27 | C26 | C25 | C24 | 179.8° | 179.7° |
| C26 | C27 | C29 | H30 | 179.7° | 179.9° |
| C29 | C30 | C31 | H31 | 180.0° | 179.9° |
| C29 | C30 | C31 | C25 | 0.3° | 0.1° |
| C29 | C30 | C31 | H32 | 179.7° | 179.7° |
| C18 | C04 | N03 | C05 | 120.5° | 120.0° |
| C18 | C04 | N03 | H7 | 121.0° | 120.0° |
| C18 | C04 | N03 | C02 | 178.6° | 87.4° |
| C18 | C04 | C05 | H7 | 119.7° | 120.0° |
| C18 | C04 | C05 | O17 | 81.6° | 107.4° |
| C18 | C04 | C05 | N06 | 99.2° | 72.6° |
| C04 | C18 | C19 | H5 | 53.8° | 54.3° |
| C18 | C04 | N03 | H6 | 1.4° | 92.7° |
| C04 | C18 | H17 | H18 | 118.3° | 120.0° |
| C26 | C25 | C31 | C30 | 0.1° | 0.0° |
| C26 | C25 | C31 | C24 | 179.8° | 179.7° |
| C26 | C25 | C24 | C23 | 107.0° | 89.7° |
| C26 | C25 | C24 | H27 | 13.3° | 150.3° |
| C26 | C25 | C24 | H28 | 132.8° | 30.3° |
| C26 | C25 | C31 | H32 | 179.9° | 179.7° |
| C30 | C31 | C25 | H32 | 180.0° | 179.7° |
| C30 | C31 | C25 | C24 | 179.7° | 179.7° |
| C31 | C30 | C29 | H30 | 179.7° | 179.9° |
| C04 | N03 | C02 | H6 | 180.0° | 179.9° |
| N03 | C04 | C05 | H7 | 119.1° | 120.0° |
| C04 | N03 | C02 | O22 | 164.0° | 174.7° |
| C04 | N03 | C02 | O01 | 15.1° | 5.3° |
| N03 | C04 | C05 | O17 | 39.6° | 12.6° |
| N03 | C04 | C05 | N06 | 139.6° | 167.4° |
| N03 | C04 | C18 | H17 | 169.0° | 69.0° |
| N03 | C04 | C18 | H18 | 50.1° | 51.0° |
| C02 | N03 | C04 | C05 | 58.2° | 152.6° |
| N03 | C02 | O22 | O01 | 179.1° | 180.0° |
| N03 | C02 | O22 | C23 | 176.6° | 180.0° |
| C02 | N03 | C04 | H7 | 60.4° | 32.6° |
| C04 | C05 | O17 | N06 | 179.2° | 180.0° |
| C04 | C05 | N06 | C07 | 179.8° | 173.8° |
| C05 | C04 | N03 | H6 | 121.8° | 27.3° |
| C04 | C05 | N06 | H8 | 0.2° | 6.2° |
| C05 | C04 | C18 | H17 | 49.6° | 51.0° |
| C05 | C04 | C18 | H18 | 69.2° | 171.0° |
| C31 | C25 | C24 | C23 | 73.2° | 90.0° |
| C31 | C25 | C24 | H27 | 166.5° | 29.9° |
| C31 | C25 | C24 | H28 | 47.1° | 150.0° |
| C31 | C25 | C26 | H29 | 180.0° | 179.9° |
| C25 | C31 | C30 | H31 | 179.8° | 180.0° |
| C25 | C24 | C23 | O22 | 68.7° | 180.0° |
| C25 | C24 | C23 | H27 | 120.3° | 120.0° |
| C25 | C24 | C23 | H28 | 120.3° | 120.1° |
| C25 | C24 | C23 | H25 | 50.8° | 60.0° |
| C25 | C24 | C23 | H26 | 171.7° | 59.9° |
| C25 | C24 | H27 | H28 | 119.1° | 120.1° |
| C24 | C25 | C26 | H29 | 0.2° | 0.3° |
| C24 | C25 | C31 | H32 | 0.3° | 0.0° |
| C02 | O22 | C23 | C24 | 176.1° | 180.0° |
| O22 | C02 | N03 | H6 | 16.0° | 5.4° |
| C02 | O22 | C23 | H25 | 56.6° | 60.0° |
| C02 | O22 | C23 | H26 | 64.4° | 60.0° |
| C23 | O22 | C02 | O01 | 2.5° | 0.0° |
| O22 | C23 | C24 | H25 | 119.5° | 120.0° |
| O22 | C23 | C24 | H26 | 119.5° | 120.0° |
| O22 | C23 | H25 | H26 | 121.4° | 120.0° |
| O22 | C23 | C24 | H27 | 51.5° | 60.0° |
| O22 | C23 | C24 | H28 | 171.0° | 60.0° |
| O01 | C02 | N03 | H6 | 164.9° | 174.6° |
| O17 | C05 | N06 | C07 | 0.9° | 6.2° |
| O17 | C05 | C04 | H7 | 158.7° | 132.6° |
| O17 | C05 | N06 | H8 | 179.0° | 173.8° |
| C05 | N06 | C07 | H8 | 180.0° | 180.0° |
| C05 | N06 | C07 | C08 | 124.4° | 85.0° |
| C05 | N06 | C07 | C10 | 114.2° | 155.0° |
| N06 | C05 | C04 | H7 | 20.5° | 47.4° |
| C05 | N06 | C07 | H9 | 4.9° | 35.0° |
| C24 | C23 | H25 | H26 | 121.4° | 120.0° |
| C23 | C24 | H27 | H28 | 119.2° | 120.0° |
| N06 | C07 | C08 | C10 | 119.0° | 120.0° |
| N06 | C07 | C08 | H9 | 119.9° | 120.0° |
| N06 | C07 | C10 | H9 | 119.9° | 120.0° |
| N06 | C07 | C08 | O09 | 178.7° | 175.0° |
| N06 | C07 | C10 | C11 | 68.4° | 65.1° |
| N06 | C07 | C08 | H10 | 7.5° | 65.1° |
| N06 | C07 | C10 | H13 | 52.0° | 55.0° |
| N06 | C07 | C10 | H14 | 171.3° | 175.0° |
| N06 | C07 | C08 | S1 | 54.5° | 55.0° |
| C08 | C07 | C10 | H9 | 121.5° | 120.1° |
| C07 | C08 | O09 | H10 | 170.9° | 120.0° |
| C07 | C08 | O09 | S1 | 57.2° | 120.0° |
| C08 | C07 | C10 | C11 | 173.1° | 175.0° |
| C08 | C07 | N06 | H8 | 55.6° | 95.0° |
| C07 | C08 | H10 | S1 | 44.4° | 120.1° |
| C07 | C08 | O09 | H12 | 180.0° | 60.0° |
| C08 | C07 | C10 | H13 | 66.5° | 64.9° |
| C08 | C07 | C10 | H14 | 52.8° | 55.0° |
| C07 | C08 | S1 | O1 | 90.0° | 175.0° |
| C07 | C08 | S1 | O2 | 90.0° | 63.3° |
| C07 | C08 | S1 | O3 | 90.0° | 73.4° |
| C10 | C07 | C08 | O09 | 62.4° | 55.0° |
| C07 | C10 | C11 | H13 | 120.4° | 120.0° |
| C07 | C10 | C11 | H14 | 120.3° | 119.9° |
| C07 | C10 | C11 | C15 | 63.1° | 175.0° |
| C07 | C10 | C11 | C12 | 177.6° | 70.3° |
| C10 | C07 | N06 | H8 | 65.8° | 25.0° |
| C10 | C07 | C08 | H10 | 126.5° | 175.0° |
| C07 | C10 | H13 | H14 | 118.9° | 120.0° |
| C07 | C10 | C11 | H15 | 60.7° | 52.3° |
| C10 | C07 | C08 | S1 | 64.4° | 64.9° |
| O09 | C08 | C07 | H9 | 58.7° | 65.0° |
| O09 | C08 | H10 | S1 | 145.8° | 120.0° |
| O09 | C08 | S1 | O1 | 90.0° | 55.0° |
| O09 | C08 | S1 | O2 | 90.0° | 56.7° |
| O09 | C08 | S1 | O3 | 90.0° | 166.6° |
| C10 | C11 | C15 | C12 | 119.8° | 118.7° |
| C10 | C11 | C15 | H15 | 122.0° | 122.6° |
| C10 | C11 | C12 | H15 | 117.2° | 122.5° |
| C10 | C11 | C15 | C14 | 146.8° | 94.0° |
| C10 | C11 | C12 | O16 | 40.0° | 77.6° |
| C10 | C11 | C12 | N13 | 140.8° | 102.6° |
| C10 | C11 | C15 | H3 | 27.5° | 147.9° |
| C10 | C11 | C15 | H4 | 93.9° | 24.2° |
| C11 | C10 | C07 | H9 | 51.5° | 54.9° |
| C11 | C10 | H13 | H14 | 118.9° | 120.0° |
| C15 | C11 | C12 | H15 | 120.3° | 118.8° |
| C11 | C15 | C14 | H3 | 119.3° | 118.1° |
| C11 | C15 | C14 | H4 | 119.3° | 118.2° |
| C11 | C15 | C14 | N13 | 26.8° | 25.4° |
| C15 | C11 | C12 | O16 | 162.5° | 163.8° |
| C15 | C11 | C12 | N13 | 18.4° | 16.0° |
| C11 | C15 | C14 | H1 | 146.0° | 93.6° |
| C11 | C15 | C14 | H2 | 92.3° | 144.3° |
| C11 | C15 | H3 | H4 | 122.1° | 123.9° |
| C15 | C11 | C10 | H13 | 176.6° | 65.0° |
| C15 | C11 | C10 | H14 | 57.3° | 55.0° |
| C12 | C11 | C15 | C14 | 27.0° | 24.6° |
| C11 | C12 | N13 | C14 | 0.1° | 0.6° |
| C11 | C12 | O16 | N13 | 179.0° | 179.8° |
| C12 | C11 | C15 | H3 | 92.3° | 93.4° |
| C12 | C11 | C15 | H4 | 146.3° | 142.8° |
| C12 | C11 | C10 | H13 | 57.2° | 49.8° |
| C12 | C11 | C10 | H14 | 62.1° | 169.8° |
| C11 | C12 | N13 | H16 | 179.9° | 179.3° |
| C15 | C14 | N13 | H1 | 119.1° | 119.1° |
| C15 | C14 | N13 | H2 | 119.1° | 119.0° |
| C15 | C14 | N13 | C12 | 15.2° | 17.1° |
| C15 | C14 | H1 | H2 | 122.5° | 122.0° |
| C14 | C15 | H3 | H4 | 122.1° | 123.7° |
| C14 | C15 | C11 | H15 | 91.2° | 143.4° |
| C15 | C14 | N13 | H16 | 164.8° | 162.8° |
| C14 | N13 | C12 | O16 | 179.2° | 179.6° |
| C14 | N13 | C12 | H16 | 180.0° | 180.0° |
| N13 | C14 | H1 | H2 | 122.5° | 121.9° |
| N13 | C14 | C15 | H3 | 92.4° | 92.7° |
| N13 | C14 | C15 | H4 | 146.1° | 143.6° |
| O16 | C12 | C11 | H15 | 77.2° | 44.9° |
| O16 | C12 | N13 | H16 | 0.8° | 0.5° |
| C12 | N13 | C14 | H1 | 134.4° | 102.0° |
| C12 | N13 | C14 | H2 | 103.9° | 136.1° |
| N13 | C12 | C11 | H15 | 102.0° | 134.9° |
| H1 | C14 | C15 | H3 | 26.7° | 148.3° |
| H1 | C14 | C15 | H4 | 94.7° | 24.6° |
| H1 | C14 | N13 | H16 | 45.6° | 78.1° |
| H2 | C14 | C15 | H3 | 148.4° | 26.3° |
| H2 | C14 | C15 | H4 | 27.0° | 97.5° |
| H2 | C14 | N13 | H16 | 76.1° | 43.9° |
| H3 | C15 | C11 | H15 | 149.6° | 25.3° |
| H4 | C15 | C11 | H15 | 28.1° | 98.4° |
| H5 | C19 | C18 | H17 | 174.3° | 65.7° |
| H5 | C19 | C18 | H18 | 66.8° | 174.3° |
| H5 | C19 | C20 | H19 | 60.6° | 60.1° |
| H5 | C19 | C20 | H20 | 179.4° | 59.9° |
| H5 | C19 | C20 | H21 | 59.4° | 179.9° |
| H5 | C19 | C21 | H22 | 60.5° | 60.0° |
| H5 | C19 | C21 | H23 | 59.5° | 60.0° |
| H5 | C19 | C21 | H24 | 179.5° | 180.0° |
| H6 | N03 | C04 | H7 | 119.6° | 147.3° |
| H7 | C04 | C18 | H17 | 69.8° | 171.1° |
| H7 | C04 | C18 | H18 | 171.3° | 68.9° |
| H8 | N06 | C07 | H9 | 175.1° | 145.0° |
| H9 | C07 | C08 | H10 | 112.4° | 54.9° |
| H9 | C07 | C10 | H13 | 171.9° | 175.0° |
| H9 | C07 | C10 | H14 | 68.8° | 65.0° |
| H9 | C07 | C08 | S1 | 174.4° | 175.0° |
| H10 | C08 | O09 | H12 | 9.1° | 180.0° |
| H10 | C08 | S1 | O1 | 90.0° | 65.0° |
| H10 | C08 | S1 | O2 | 90.0° | 176.7° |
| H10 | C08 | S1 | O3 | 90.0° | 46.7° |
| H12 | O09 | C08 | S1 | 122.8° | 60.0° |
| H13 | C10 | C11 | H15 | 59.7° | 172.3° |
| H14 | C10 | C11 | H15 | 179.0° | 67.7° |
| H19 | C20 | H20 | H21 | 120.0° | 119.9° |
| H22 | C21 | H23 | H24 | 120.0° | 120.0° |
| H25 | C23 | C24 | H27 | 171.1° | 180.0° |
| H25 | C23 | C24 | H28 | 69.5° | 60.0° |
| H26 | C23 | C24 | H27 | 68.0° | 60.0° |
| H26 | C23 | C24 | H28 | 51.5° | NaN° |
| H30 | C29 | C30 | H31 | 0.3° | 0.0° |
| H31 | C30 | C31 | H32 | 0.2° | 0.3° |
| C08 | S1 | O1 | O2 | 90.0° | 116.1° |
| C08 | S1 | O1 | O3 | 90.0° | 116.1° |
| C08 | S1 | O2 | O3 | 90.0° | 131.5° |
| C08 | S1 | O1 | H11 | 90.0° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O2 | S1 | O1 | H11 | 90.0° | 63.9° |
| O3 | S1 | O1 | H11 | 90.0° | 63.9° |
